0 mol 18 unq 0 iso 0 dist 6.39243 15.2831 9.51761 9.30561 7.3094 9.70492 4.95319 5.65084 12.6536 9.36767 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.39243 9.30561 7.3094 15.2831 9.51761 9.70492 4.95319 5.65084 9.36767 12.6536 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 9.1715 17.8306 9.51761 14.3582 7.3094 9.70492 6.19959 5.65084 12.6536 9.36767 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 9.1715 14.3582 7.3094 17.8306 9.51761 9.70492 6.19959 5.65084 9.36767 12.6536 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 12.0268 8.09311 11.6226 6.17155 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 12.0268 8.09311 6.17155 11.6226 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 9.10781 9.05357 13.1949 10.3122 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 9.10781 9.05357 10.3122 13.1949 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.5983 6.03987 4.51512 11.9503 7.6114 6.10919 5.86705 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 11.9503 7.6114 5.86705 6.10919 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.0607 9.96708 10.7394 8.89611 7.12321 4.27726 7.47371 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 8.89611 7.12321 7.47371 4.27726 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 11.1406 9.55118 5.69391 9.78221 numMergedOcc 0
13 mol 72 unq 1 iso 1 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 11.1406 9.55118 9.78221 5.69391 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 8.28664 9.10345 13.4212 11.6634 numMergedOcc 0
15 mol 72 unq 2 iso 1 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 8.28664 9.10345 11.6634 13.4212 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 10.5559 7.82475 5.43561 5.9143 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 10.5559 7.82475 5.9143 5.43561 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 11.1947 5.35782 6.30222 5.47563 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 11.1947 5.35782 5.47563 6.30222 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 10.5559 7.82475 5.43561 5.25234 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 10.5559 7.82475 5.25234 5.43561 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 11.1947 5.35782 6.30222 5.03232 numMergedOcc 0
23 mol 100 unq 3 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 11.1947 5.35782 5.03232 6.30222 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 10.5559 7.82475 5.9143 5.25234 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 10.5559 7.82475 5.25234 5.9143 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 11.1947 5.35782 5.47563 5.03232 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 11.1947 5.35782 5.03232 5.47563 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 15.353 7.82475 5.43561 5.9143 numMergedOcc 0
29 mol 100 unq 4 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 15.353 7.82475 5.9143 5.43561 numMergedOcc 0
30 mol 100 unq 5 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 12.9628 5.35782 6.30222 5.47563 numMergedOcc 0
31 mol 100 unq 5 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 12.9628 5.35782 5.47563 6.30222 numMergedOcc 0
32 mol 100 unq 6 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 15.353 7.82475 5.43561 5.25234 numMergedOcc 0
33 mol 100 unq 6 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 15.353 7.82475 5.25234 5.43561 numMergedOcc 0
34 mol 100 unq 7 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 12.9628 5.35782 6.30222 5.03232 numMergedOcc 0
35 mol 100 unq 7 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 12.9628 5.35782 5.03232 6.30222 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 15.353 7.82475 5.9143 5.25234 numMergedOcc 0
37 mol 100 unq 6 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 15.353 7.82475 5.25234 5.9143 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 12.9628 5.35782 5.47563 5.03232 numMergedOcc 0
39 mol 100 unq 7 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 12.9628 5.35782 5.03232 5.47563 numMergedOcc 0
40 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 7.34308 6.39384 6.63111 6.07067 numMergedOcc 0
41 mol 115 unq 0 iso 1 dist 8.97043 5.19652 6.11741 11.8721 9.33865 8.02349 7.34308 6.39384 6.07067 6.63111 numMergedOcc 0
42 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 5.21051 7.90328 13.1058 7.5937 6.10127 6.57678 10.5783 numMergedOcc 0
43 mol 117 unq 0 iso 1 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 7.5937 6.10127 10.5783 6.57678 numMergedOcc 0
44 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 7.33132 8.22656 6.65743 5.37122 8.26547 5.03174 4.88025 numMergedOcc 0
45 mol 133 unq 0 iso 1 dist 9.79004 7.33132 8.22656 10.0277 7.24514 6.65743 5.37122 8.26547 4.88025 5.03174 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 4.70162 9.33924 6.95573 10.2026 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 4.70162 9.33924 10.2026 6.95573 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 12.487 7.93372 8.06642 4.00092 numMergedOcc 0
49 mol 134 unq 1 iso 1 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 12.487 7.93372 4.00092 8.06642 numMergedOcc 0
50 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 4.39297 7.26382 5.50998 9.15345 6.14151 4.67662 5.81599 numMergedOcc 0
51 mol 142 unq 0 iso 1 dist 9.14908 4.39297 7.26382 6.3846 5.31024 5.50998 9.15345 6.14151 5.81599 4.67662 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 11.9701 9.76212 12.9532 6.50233 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 8.90247 14.0828 8.03334 5.114 9.1374 13.2049 11.9701 9.76212 6.50233 12.9532 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 5.19262 5.23634 5.0317 5.83175 numMergedOcc 0
55 mol 227 unq 0 iso 1 dist 9.60159 6.38287 7.09863 7.51316 7.22101 4.39704 5.19262 5.23634 5.83175 5.0317 numMergedOcc 0
